element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6864', '1.708383']
model name:
ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:00:22      -12.987581         3.262308
BFGS:    1 16:00:22      -13.192738         2.266007
BFGS:    2 16:00:22      -13.278498         1.016119
BFGS:    3 16:00:22      -13.293443         0.053091
BFGS:    4 16:00:22      -13.293477         0.001578
BFGS:    5 16:00:22      -13.293477         0.000190
BFGS:    6 16:00:22      -13.293477         0.000003
BFGS:    7 16:00:22      -13.293477         0.000000
BFGS:    8 16:00:22      -13.293477         0.000000
Minimization converged after 8 steps.
Maximum force component: 8.954589308341185e-33 eV/Angstrom
Maximum stress component: 1.0353606181889767e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.7881069060154138, -3.2295019521144404e-18, -2.2547204501584258e-37], [-1.3940534530077069, 2.4145714090761805, 9.949243703346809e-36], [1.3591437461884218e-37, -1.5383081496233597e-36, 4.35889555642214]])
forces =  [[-2.79212335e-70  3.16018531e-69 -8.95458931e-33]
 [ 2.79212335e-70 -3.16018531e-69  8.95458931e-33]]
stress =  [-3.78848516e-11 -3.78848516e-11 -1.03536062e-10  7.80751242e-33
  2.70460164e-33 -5.51263188e-27]
energy per atom =  -6.646738594801856
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0